4-(1-methylsulfonylpiperidin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine

C13H22N6O3S — CID 66698051

IUPAC4-(1-methylsulfonylpiperidin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCS(=O)(=O)N1CCC(c2nc(N)nc(N3CCOCC3)n2)CC1
InChIInChI=1S/C13H22N6O3S/c1-23(20,21)19-4-2-10(3-5-19)11-15-12(14)17-13(16-11)18-6-8-22-9-7-18/h10H,2-9H2,1H3,(H2,14,15,16,17)
InChIKeyCRSASCPAKAVUII-UHFFFAOYSA-N
MW342.43 g/mol
LogP-0.57
Rot. Bonds3

About 4-(1-methylsulfonylpiperidin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine

4-(1-methylsulfonylpiperidin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 66698051) has the molecular formula C13H22N6O3S and a molecular weight of 342.43 g/mol. Its IUPAC name is 4-(1-methylsulfonylpiperidin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(1-methylsulfonylpiperidin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID66698051
Molecular FormulaC13H22N6O3S
Molecular Weight342.43 g/mol
Exact Mass342.15
IUPAC Name4-(1-methylsulfonylpiperidin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCS(=O)(=O)N1CCC(c2nc(N)nc(N3CCOCC3)n2)CC1
InChIInChI=1S/C13H22N6O3S/c1-23(20,21)19-4-2-10(3-5-19)11-15-12(14)17-13(16-11)18-6-8-22-9-7-18/h10H,2-9H2,1H3,(H2,14,15,16,17)
InChIKeyCRSASCPAKAVUII-UHFFFAOYSA-N
XLogP-0.57
TPSA114.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylsulfonylpiperidin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(1-methylsulfonylpiperidin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 66698051) is 4-(1-methylsulfonylpiperidin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(1-methylsulfonylpiperidin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(1-methylsulfonylpiperidin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine is CS(=O)(=O)N1CCC(c2nc(N)nc(N3CCOCC3)n2)CC1.
What is the InChIKey of 4-(1-methylsulfonylpiperidin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is CRSASCPAKAVUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O3S/c1-23(20,21)19-4-2-10(3-5-19)11-15-12(14)17-13(16-11)18-6-8-22-9-7-18/h10H,2-9H2,1H3,(H2,14,15,16,17).
What are the key properties of 4-(1-methylsulfonylpiperidin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
4-(1-methylsulfonylpiperidin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 342.43 g/mol, XLogP of -0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylsulfonylpiperidin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 66698051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).